3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine

C12H21N — CID 138501995

IUPAC3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine
SMILESC=C(CCC)CC1CN(C(=C)C)C1
InChIInChI=1S/C12H21N/c1-5-6-11(4)7-12-8-13(9-12)10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyXAMPRRBKFXOVCD-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine

3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine (PubChem CID 138501995) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine.

Molecular Properties

Compound Name3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine
PubChem CID138501995
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine
SMILESC=C(CCC)CC1CN(C(=C)C)C1
InChIInChI=1S/C12H21N/c1-5-6-11(4)7-12-8-13(9-12)10(2)3/h12H,2,4-9H2,1,3H3
InChIKeyXAMPRRBKFXOVCD-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine?
The IUPAC name of 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine (CID 138501995) is 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine.
What is the SMILES notation for 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine?
The canonical SMILES for 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine is C=C(CCC)CC1CN(C(=C)C)C1.
What is the InChIKey of 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine?
The InChIKey is XAMPRRBKFXOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-6-11(4)7-12-8-13(9-12)10(2)3/h12H,2,4-9H2,1,3H3.
What are the key properties of 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine?
3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine has a molecular weight of 179.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenepentyl)-1-prop-1-en-2-ylazetidine is sourced from PubChem (CID 138501995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).